N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide

C11H19N3O2 — CID 110479535

IUPACN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)n(CCO)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)6-11(16)12-10-7-9(3)13-14(10)4-5-15/h7-8,15H,4-6H2,1-3H3,(H,12,16)
InChIKeyUPNXAWPSKGDMEL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.17
Rot. Bonds5

About N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide (PubChem CID 110479535) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
PubChem CID110479535
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
SMILESCc1cc(NC(=O)CC(C)C)n(CCO)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)6-11(16)12-10-7-9(3)13-14(10)4-5-15/h7-8,15H,4-6H2,1-3H3,(H,12,16)
InChIKeyUPNXAWPSKGDMEL-UHFFFAOYSA-N
XLogP1.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
CID 115925989
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
2-[5-(3-methoxybutan-2-ylamino)-3-methylpyrazol-1-yl]ethanol
CID 115925988
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide (CID 110479535) is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide is Cc1cc(NC(=O)CC(C)C)n(CCO)n1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
The InChIKey is UPNXAWPSKGDMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)6-11(16)12-10-7-9(3)13-14(10)4-5-15/h7-8,15H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide?
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide has a molecular weight of 225.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 110479535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).